NIST 06181211523D 1 1.00000 -291.21048 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 -0.7401 -0.9670 0.5375 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -1.0566 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 0.3747 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 1.2820 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 0.3109 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 0.6117 1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 0.5921 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 -0.8906 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.4015 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 -1.7965 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 1.8259 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 2.0354 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 0.6931 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 0.1207 -1.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 0.4137 2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 1.6500 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.0407 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 0.4423 -2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 -0.1084 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 1.6076 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-06-18 > 3437-30-7 > B3LYP/6-31G* > 1.3314 debye > -291.210477313 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 45.6708 0.1744 240.8418 5.6454 243.1739 0.3049 275.7547 0.4312 322.5907 0.9364 337.7584 0.3540 391.8807 0.5865 417.5418 0.9342 577.3931 0.1151 643.3837 1.6450 761.0986 4.1101 821.4686 31.2753 857.0215 88.0668 891.1495 17.2502 929.4242 2.3544 947.9911 15.1353 959.5222 0.6171 975.2161 8.4692 993.9509 3.8898 1020.5016 1.3939 1085.9191 6.3582 1108.8210 7.4838 1127.4948 11.9454 1217.4055 1.3227 1233.2403 1.3499 1257.5237 4.5919 1299.5523 4.5677 1313.9192 0.8612 1348.4520 0.6649 1353.5517 1.4574 1389.2687 3.2785 1427.6083 5.6482 1448.1027 1.4780 1483.2153 6.5119 1514.3431 0.4550 1516.8348 0.7582 1522.1929 3.2744 1525.6891 2.4526 1535.1169 4.3527 1536.6959 3.8436 1541.5355 1.5340 3027.7840 33.5463 3030.6902 33.7499 3036.8582 34.6657 3043.6514 48.0264 3056.4843 26.7114 3089.1951 12.2747 3095.3217 32.1061 3096.8110 12.3097 3097.8627 18.0541 3104.5412 46.3484 3105.1110 63.1525 3111.8545 57.6690 3464.4558 3.3064 > 3.90822 GHz 2.17670 GHz 2.07036 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$